SCHEMBL21452571

SCHEMBL21452571

CNC(=O)C1CCN(C(C)C)C1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCHE P06276 1/20 0.41
HRH3 Q9Y5N1 5/20 0.40
CYP2D6 P10635 2/20 0.38
NOTUM Q6P988 1/20 0.37
TSHR P16473 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
ALDH1A1 P00352 2/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
HSD17B10 Q99714 1/20 0.36
MAP4K4 O95819 1/20 0.35
CHRNB2 P17787 2/20 0.35
CHRNA4 P43681 2/20 0.35
CHRNA7 P36544 1/20 0.35
KDM2B Q8NHM5 1/20 0.35
CHRNB4 P30926 1/20 0.34
CHRNA3 P32297 1/20 0.34
PKM P14618 1/20 0.34
GAA P10253 1/20 0.33
KCNH2 Q12809 1/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL19176777 1.00 BCHE (0.41) BCHEHRH3CYP2D6NOTUMTSHR
SCHEMBL26723939 0.89 BCHE (0.49) BCHEHRH3CYP2D6TSHRSMN1; SMN2
SCHEMBL24777624 0.89 BCHE (0.49) BCHEHRH3CYP2D6TSHRSMN1; SMN2
SCHEMBL12026414 0.89 HRH3 (0.46) BCHEHRH3CYP2D6SMN1; SMN2ALDH1A1
SCHEMBL20996873 0.84 CHRNB2 (0.39) BCHEHRH3CYP2D6TSHRSMN1; SMN2
SCHEMBL18705030 0.84 MEN1 (0.54) HRH3CYP2D6TSHRSMN1; SMN2MEN1
SCHEMBL23561504 0.82 CYP2D6 (0.52) HRH3CYP2D6TSHRALDH1A1MEN1
SCHEMBL17789624 0.82 HRH3 (0.49) BCHEHRH3CYP2D6TSHRSMN1; SMN2
SCHEMBL23557632 0.82 BCHE (0.46) BCHEHSD17B10GAA
SCHEMBL23561214 0.81 BCHE (0.47) BCHEHRH3CYP2D6SMN1; SMN2ALDH1A1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022150707-A1 FUSED QUADRACYCLIC COMPOUNDS, COMPOSITIONS AND USES THEREOF Tabomedex Biosciences, Inc. (US) 2022-07-14 WO disclosed
US-20210213014-A1 METHODS OF USING EHMT2 INHIBITORS IN IMMUNOTHERAPIES Epizyme, Inc. 2021-07-15 US disclosed
US-11008302-B2 Substituted pyridine and pyrimidines and their use as GluN2B receptor modulators JANSSEN PHARMACEUTICA NV (BE) 2021-05-18 US disclosed
EP-3616753-A1 COMPOUNDS FOR MODULATING ADENOSINE A2B RECEPTOR AND ADENOSINE A2A RECEPTOR Corvus Pharmaceuticals, Inc. (US) 2020-03-04 EP disclosed
US-20190308950-A1 SUBSTITUTED PYRIDINE AND PYRIMIDINES AND THEIR USE AS GLUN2B RECEPTOR MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2019-10-10 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20190308950-A1 SUBSTITUTED PYRIDINE AND PYRIMIDINES AND THEIR USE AS GLUN2B RECEPTOR MODULATORS GRIN2B, GRIN2A, GRIN3B BCHE 3740/4885HRH3 292/4885CYP2D6 1439/4885
US-11008302-B2 Substituted pyridine and pyrimidines and their use as GluN2B receptor modulators GRIN2B, GRIN2A, GRIN3B BCHE 3703/4885HRH3 288/4885CYP2D6 1923/4885
US-20210213014-A1 METHODS OF USING EHMT2 INHIBITORS IN IMMUNOTHERAPIES EHMT2, BHMT2, BHMT BCHE 983/4885HRH3 315/4885CYP2D6 2470/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.